(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide

C17H19FN2O2S — CID 97157432

IUPAC(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(CN(C(=O)[C@H]2CCO[C@H]2C)c2ccc(F)cc2)cs1
InChIInChI=1S/C17H19FN2O2S/c1-11-16(7-8-22-11)17(21)20(9-14-10-23-12(2)19-14)15-5-3-13(18)4-6-15/h3-6,10-11,16H,7-9H2,1-2H3/t11-,16-/m0/s1
InChIKeyDDONNOGGKMBGLF-ZBEGNZNMSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds4

About (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide

(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 97157432) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID97157432
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCc1nc(CN(C(=O)[C@H]2CCO[C@H]2C)c2ccc(F)cc2)cs1
InChIInChI=1S/C17H19FN2O2S/c1-11-16(7-8-22-11)17(21)20(9-14-10-23-12(2)19-14)15-5-3-13(18)4-6-15/h3-6,10-11,16H,7-9H2,1-2H3/t11-,16-/m0/s1
InChIKeyDDONNOGGKMBGLF-ZBEGNZNMSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55732875
(E)-N-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 55785222
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
CID 24988580
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 55785481
2-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 78886776
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 78886785
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 55732936

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 97157432) is (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is Cc1nc(CN(C(=O)[C@H]2CCO[C@H]2C)c2ccc(F)cc2)cs1.
What is the InChIKey of (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is DDONNOGGKMBGLF-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-11-16(7-8-22-11)17(21)20(9-14-10-23-12(2)19-14)15-5-3-13(18)4-6-15/h3-6,10-11,16H,7-9H2,1-2H3/t11-,16-/m0/s1.
What are the key properties of (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
(2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(4-fluorophenyl)-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 97157432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).